6-fluoranyl-3-pentanoyloxy-2-(4-phenylphenyl)quinoline-4-carboxylic acid

Systemtic Name: 6-fluoranyl-3-pentanoyloxy-2-(4-phenylphenyl)quinoline-4-carboxylic acid Openeye Name: 6-fluoro-3-pentanoyloxy-2-(4-phenylphenyl)quinoline-4-carboxylic acid CAS Name: 6-fluoro-3-(1-oxopentoxy)-2-(4-phenylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-fluoro-3-pentanoyloxy-2-(4-phenylphenyl)quinoline-4-carboxylic acid Traditional Name: 6-fluoro-2-(4-phenylphenyl)-3-valeryloxy-cinchoninic acid Formula: C27H22FNO4 MolecularWeight: 443.466283

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1=C(N=C2C=CC(=CC2=C1C(=O)O)F)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCC(=O)OC1=C(N=C2C=CC(=CC2=C1C(=O)O)F)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H22FNO4/c1-2-3-9-23(30)33-26-24(27(31)32)21-16-20(28)14-15-22(21)29-25(26)19-12-10-18(11-13-19)17-7-5-4-6-8-17/h4-8,10-16H,2-3,9H2,1H3,(H,31,32)